propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C26H34N4O3S — CID 46112247

About propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 46112247) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 46112247
• Molecular Formula: C26H34N4O3S
• Molecular Weight: 482.65 g/mol
• Exact Mass: 482.24
• IUPAC Name: propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CC1=C(C(=O)OC(C)C)C(c2cccc(C)c2)N2C(CC(=O)NC3CCN(C)CC3)=CSC2=N1
• InChI: InChI=1S/C26H34N4O3S/c1-16(2)33-25(32)23-18(4)27-26-30(24(23)19-8-6-7-17(3)13-19)21(15-34-26)14-22(31)28-20-9-11-29(5)12-10-20/h6-8,13,15-16,20,24H,9-12,14H2,1-5H3,(H,28,31)
• InChIKey: RUCSTHNUZCUKFB-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 74.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.65
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 46112247) is propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CC1=C(C(=O)OC(C)C)C(c2cccc(C)c2)N2C(CC(=O)NC3CCN(C)CC3)=CSC2=N1.

What is the InChIKey of propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is RUCSTHNUZCUKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-16(2)33-25(32)23-18(4)27-26-30(24(23)19-8-6-7-17(3)13-19)21(15-34-26)14-22(31)28-20-9-11-29(5)12-10-20/h6-8,13,15-16,20,24H,9-12,14H2,1-5H3,(H,28,31).

What are the key properties of propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 482.65 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 46112247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).